SCHEMBL8524627

SCHEMBL8524627

COc1c(C(N)=O)ccc2c1nnn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.39
IDH1 O75874 2/20 0.37
PARP1 P09874 3/20 0.37
HCAR3 P49019 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
SIK1 P57059 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30659665 0.73 NQO2 (0.42) HCAR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11039311 0.73 NNMT (0.52) NNMTPARP1MAPTKDM4EALDH1A1
SCHEMBL28850690 0.72 IDH1 (0.41) NNMTIDH1PARP1MAPTKDM4E
SCHEMBL304209 0.72 NPC1 (0.40) HCAR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8953225 0.72 KDM4E (0.38) HCAR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19437531 0.70 TLR8 (0.45) NNMTIDH1PARP1LMNAPKN1
SCHEMBL8952902 0.69 HCAR3 (0.47) HCAR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13516493 0.69 KDM4E (0.36) IDH1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL28443183 0.68 KDM4E (0.35) HCAR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12970786 0.67 NNMT (0.50) NNMTPARP1SMN1; SMN2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed